1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene

C25H26 — CID 22149518

IUPAC1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene
SMILESCC(C)=c1ccc2c(c1C1=CC(C(C)(C)C)=CC1)C=c1ccccc1=2
InChIInChI=1S/C25H26/c1-16(2)20-12-13-22-21-9-7-6-8-17(21)15-23(22)24(20)18-10-11-19(14-18)25(3,4)5/h6-9,11-15H,10H2,1-5H3
InChIKeySGYCDKVBMBTHHI-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.07
Rot. Bonds1

About 1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene

1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene (PubChem CID 22149518) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene.

Molecular Properties

Compound Name1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene
PubChem CID22149518
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene
SMILESCC(C)=c1ccc2c(c1C1=CC(C(C)(C)C)=CC1)C=c1ccccc1=2
InChIInChI=1S/C25H26/c1-16(2)20-12-13-22-21-9-7-6-8-17(21)15-23(22)24(20)18-10-11-19(14-18)25(3,4)5/h6-9,11-15H,10H2,1-5H3
InChIKeySGYCDKVBMBTHHI-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene
CID 21263272
3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol
CID 87997674
1-methylcyclopenta[a]fluorene
CID 150535311
3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-methyl-4-propan-2-ylidene-1H-cyclopenta[b]pyrrole
CID 57320820
1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidene-9H-fluoren-9-ide;zirconium(3+);dichloride
CID 87112222
cyclopenta[a]fluoren-1-yl(dimethoxy)silane
CID 160805248
nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene
CID 173159770
1-[2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-5-chlorophenyl]ethanone
CID 68547230
trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride
CID 87936351
1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
CID 153499449
bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride
CID 87773551
N-methylperoxybenzo[a]fluoren-1-imine
CID 141413724

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene?
The IUPAC name of 1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene (CID 22149518) is 1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene.
What is the SMILES notation for 1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene?
The canonical SMILES for 1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene is CC(C)=c1ccc2c(c1C1=CC(C(C)(C)C)=CC1)C=c1ccccc1=2.
What is the InChIKey of 1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene?
The InChIKey is SGYCDKVBMBTHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26/c1-16(2)20-12-13-22-21-9-7-6-8-17(21)15-23(22)24(20)18-10-11-19(14-18)25(3,4)5/h6-9,11-15H,10H2,1-5H3.
What are the key properties of 1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene?
1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene has a molecular weight of 326.48 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene is sourced from PubChem (CID 22149518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).